3-(diaminomethylidene)-1,1-dipropylguanidine

C8H19N5 — CID 19788243

IUPAC3-(diaminomethylidene)-1,1-dipropylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CCC)CCC
InChIInChI=1S/C8H19N5/c1-3-5-13(6-4-2)8(11)12-7(9)10/h3-6H2,1-2H3,(H5,9,10,11,12)
InChIKeySQTHMGUHVUGMOU-UHFFFAOYSA-N
MW185.28 g/mol
LogP0.32
Rot. Bonds4

About 3-(diaminomethylidene)-1,1-dipropylguanidine

3-(diaminomethylidene)-1,1-dipropylguanidine (PubChem CID 19788243) has the molecular formula C8H19N5 and a molecular weight of 185.28 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1,1-dipropylguanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1,1-dipropylguanidine
PubChem CID19788243
Molecular FormulaC8H19N5
Molecular Weight185.28 g/mol
Exact Mass185.16
IUPAC Name3-(diaminomethylidene)-1,1-dipropylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CCC)CCC
InChIInChI=1S/C8H19N5/c1-3-5-13(6-4-2)8(11)12-7(9)10/h3-6H2,1-2H3,(H5,9,10,11,12)
InChIKeySQTHMGUHVUGMOU-UHFFFAOYSA-N
XLogP0.32
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1,1-dipropylguanidine?
The IUPAC name of 3-(diaminomethylidene)-1,1-dipropylguanidine (CID 19788243) is 3-(diaminomethylidene)-1,1-dipropylguanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1,1-dipropylguanidine?
The canonical SMILES for 3-(diaminomethylidene)-1,1-dipropylguanidine is [H]/N=C(\N=C(N)N)N(CCC)CCC.
What is the InChIKey of 3-(diaminomethylidene)-1,1-dipropylguanidine?
The InChIKey is SQTHMGUHVUGMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-3-5-13(6-4-2)8(11)12-7(9)10/h3-6H2,1-2H3,(H5,9,10,11,12).
What are the key properties of 3-(diaminomethylidene)-1,1-dipropylguanidine?
3-(diaminomethylidene)-1,1-dipropylguanidine has a molecular weight of 185.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1,1-dipropylguanidine is sourced from PubChem (CID 19788243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).